Sugi Predict

Sugi Predict / Compounds / SCHEMBL11700253

SCHEMBL11700253

SCHEMBL11700253

ClC(CC1CCCCC1)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 1/20 0.37
▸ SHBG P04278 1/20 0.37
▸ TP53 P04637 2/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11700781 1.00 EPHX1 (0.37) EPHX1SHBGTP53MEN1ALDH1A1
SCHEMBL11838850 0.76 SHBG (0.44) EPHX1SHBGTP53MEN1ALDH1A1
SCHEMBL945650 0.76 CHRM5 (0.35) EPHX1CYP1A2
SCHEMBL2999144 0.74 EPHX1 (0.40) EPHX1SHBGTP53ALDH1A1LMNA
SCHEMBL19404066 0.74 EPHX1 (0.40) EPHX1SHBGTP53ALDH1A1LMNA
SCHEMBL15703452 0.74 EPHX1 (0.52) EPHX1SHBGTP53MEN1ALDH1A1
SCHEMBL3885036 0.74 EPHX1 (0.40) EPHX1SHBGTP53MEN1ALDH1A1
SCHEMBL2988423 0.74 EPHX1 (0.52) EPHX1SHBGTP53MEN1ALDH1A1
SCHEMBL16933742 0.73 — —
SCHEMBL8137257 0.72 TP53 (0.36) TP53LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4018836-A Production of monochloro-substituted saturated compounds UOP INC. (US) 1977-04-19 — — US disclosed